BDBM50250622 CHEMBL4095501

SMILES: COc1cc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)ccc1CC(C)C

InChI Key: InChIKey=CKEABWRPTDPXLO-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50250622   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250622 (CHEMBL4095501) Show SMILES COc1cc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)ccc1CC(C)C |t:12| Show InChI InChI=1S/C28H35NO4/c1-18(2)11-22-6-5-20(12-27(22)32-4)17-33-25-9-10-26-19(3)23(8-7-21(26)13-25)14-29-15-24(16-29)28(30)31/h5-6,9-10,12-13,18,24H,7-8,11,14-17H2,1-4H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250622 (CHEMBL4095501) Show SMILES COc1cc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)ccc1CC(C)C |t:12| Show InChI InChI=1S/C28H35NO4/c1-18(2)11-22-6-5-20(12-27(22)32-4)17-33-25-9-10-26-19(3)23(8-7-21(26)13-25)14-29-15-24(16-29)28(30)31/h5-6,9-10,12-13,18,24H,7-8,11,14-17H2,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair